8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide

C15H27N3O3S — CID 138016451

IUPAC8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide
SMILESNC1CN(C(=O)NCCC2CCS(=O)(=O)CC2)CC12CCC2
InChIInChI=1S/C15H27N3O3S/c16-13-10-18(11-15(13)5-1-6-15)14(19)17-7-2-12-3-8-22(20,21)9-4-12/h12-13H,1-11,16H2,(H,17,19)
InChIKeyNSCWMNOCTQRJGW-UHFFFAOYSA-N
MW329.47 g/mol
LogP0.72
Rot. Bonds3

About 8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide

8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide (PubChem CID 138016451) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is 8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide.

Molecular Properties

Compound Name8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide
PubChem CID138016451
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Name8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide
SMILESNC1CN(C(=O)NCCC2CCS(=O)(=O)CC2)CC12CCC2
InChIInChI=1S/C15H27N3O3S/c16-13-10-18(11-15(13)5-1-6-15)14(19)17-7-2-12-3-8-22(20,21)9-4-12/h12-13H,1-11,16H2,(H,17,19)
InChIKeyNSCWMNOCTQRJGW-UHFFFAOYSA-N
XLogP0.72
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-amino-N-(oxan-4-ylmethyl)-6-azaspiro[3.4]octane-6-carboxamide
CID 138016363
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,2-trifluoroacetamide
CID 163828197
2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618033
ethyl 3-[2-(1,1-dioxothian-4-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 75438577
ethyl (3S)-3-[2-(1,1-dioxothian-4-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 97253051
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
N-(2-cyclopentylethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 55808732
2-(1,1-dioxothian-4-yl)-1-pyrrolidin-1-ylethanone
CID 110848611
1-amino-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 81179239
4-amino-N-ethyl-8-azaspiro[4.5]decane-8-carboxamide
CID 165463057
N-(2-cyclohexylethyl)-3-hydroxypiperidine-1-carboxamide
CID 110896376

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide?
The IUPAC name of 8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide (CID 138016451) is 8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide.
What is the SMILES notation for 8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide?
The canonical SMILES for 8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide is NC1CN(C(=O)NCCC2CCS(=O)(=O)CC2)CC12CCC2.
What is the InChIKey of 8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide?
The InChIKey is NSCWMNOCTQRJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c16-13-10-18(11-15(13)5-1-6-15)14(19)17-7-2-12-3-8-22(20,21)9-4-12/h12-13H,1-11,16H2,(H,17,19).
What are the key properties of 8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide?
8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-[2-(1,1-dioxothian-4-yl)ethyl]-6-azaspiro[3.4]octane-6-carboxamide is sourced from PubChem (CID 138016451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).